============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 68 rings ring int. center anis. iso. PHE 3 1.000 8.988 -32.942 -19.771 -99.200 -91.000 TYR 9 0.840 15.321 -27.750 -16.619 -99.200 -91.000 PHE 10 1.000 17.786 -34.882 -11.126 -99.200 -91.000 TRP 23 1.040 18.368 -19.500 4.935 -99.200 -91.000 TRP6 23 1.020 17.680 -17.587 6.109 -99.200 -91.000 PHE 24 1.000 19.429 -28.256 10.747 -99.200 -91.000 HIS 25 0.900 24.886 -26.174 8.758 -99.200 -91.000 PHE 30 1.000 16.559 -14.965 12.221 -99.200 -91.000 TRP 48 1.040 16.395 -35.890 -5.199 -99.200 -91.000 TRP6 48 1.020 15.565 -37.633 -3.885 -99.200 -91.000 PHE 51 1.000 13.232 -31.137 -11.532 -99.200 -91.000 TYR 55 0.840 18.176 -39.060 -15.560 -99.200 -91.000 TYR 57 0.840 7.809 -41.194 -19.083 -99.200 -91.000 TYR 61 0.840 8.211 -45.658 -20.925 -99.200 -91.000 TYR 62 0.840 11.669 -39.602 -23.947 -99.200 -91.000 PHE 63 1.000 19.785 -47.121 -21.340 -99.200 -91.000 TYR 70 0.840 27.988 -43.878 -18.548 -99.200 -91.000 HIS 71 0.900 28.969 -44.867 -23.334 -99.200 -91.000 PHE 76 1.000 32.006 -37.257 -17.548 -99.200 -91.000 PHE 78 1.000 25.962 -30.499 -17.504 -99.200 -91.000 TYR 94 0.840 21.149 -37.192 10.876 -99.200 -91.000 TRP 96 1.040 11.708 -32.874 9.704 -99.200 -91.000 TRP6 96 1.020 12.017 -31.854 7.598 -99.200 -91.000 TRP 106 1.040 25.762 -45.284 4.250 -99.200 -91.000 TRP6 106 1.020 28.119 -45.161 4.147 -99.200 -91.000 PHE 115 1.000 28.641 -40.417 -13.670 -99.200 -91.000 TRP 124 1.040 42.622 -40.242 -16.166 -99.200 -91.000 TRP6 124 1.020 43.604 -41.195 -14.265 -99.200 -91.000 PHE 129 1.000 38.589 -33.897 -21.706 -99.200 -91.000 HIS 135 0.900 32.330 -27.482 -22.201 -99.200 -91.000 PHE 138 1.000 36.953 -33.679 -15.149 -99.200 -91.000 TYR 139 0.840 35.872 -27.057 -11.457 -99.200 -91.000 PHE 147 1.000 35.605 -30.429 -2.304 -99.200 -91.000 TYR 158 0.840 29.661 -43.999 9.335 -99.200 -91.000 HIS 159 0.900 32.874 -36.468 12.394 -99.200 -91.000 TYR 163 0.840 39.206 -34.707 8.188 -99.200 -91.000 PHE 165 1.000 33.886 -40.952 -0.234 -99.200 -91.000 PHE 166 1.000 38.341 -31.232 2.468 -99.200 -91.000 TRP 173 1.040 39.373 -26.504 -6.978 -99.200 -91.000 TRP6 173 1.020 39.709 -25.473 -4.876 -99.200 -91.000 PHE 176 1.000 38.753 -29.785 -15.199 -99.200 -91.000 HIS 183 0.900 39.262 -25.107 -23.575 -99.200 -91.000 PHE 193 1.000 28.440 -25.917 -24.912 -99.200 -91.000 PHE 205 1.000 32.856 -18.933 -1.796 -99.200 -91.000 TYR 211 0.840 39.137 -28.015 6.906 -99.200 -91.000 HIS 216 0.900 33.951 -32.563 15.076 -99.200 -91.000 TRP 227 1.040 34.678 -18.095 3.195 -99.200 -91.000 TRP6 227 1.020 33.856 -16.361 4.572 -99.200 -91.000 TYR 229 0.840 41.364 -19.732 -6.387 -99.200 -91.000 PHE 231 1.000 34.314 -14.103 0.265 -99.200 -91.000 PHE 235 1.000 35.633 -9.735 -4.568 -99.200 -91.000 PHE 236 1.000 39.899 -13.005 -10.900 -99.200 -91.000 PHE 241 1.000 25.274 -12.366 -14.403 -99.200 -91.000 TRP 243 1.040 32.223 -13.425 -22.556 -99.200 -91.000 TRP6 243 1.020 32.706